SCHEMBL11029248

SCHEMBL11029248

CC1(C(N)=O)CC(c2cccnc2)Nc2ccc([C]=O)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 8/20 0.35
▸ F10 P00742 7/20 0.35
▸ F11 P03951 7/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ TBXAS1 P24557 1/20 0.32
▸ RAB9A P51151 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11028627 0.81 GUSB (0.38) F7F10F11
SCHEMBL11026606 0.80 MKNK1 (0.35) CHRNB2CHRNA4
SCHEMBL11026011 0.80 F11 (0.38) F7F10F11ALDH1A1HSD17B10
SCHEMBL11026441 0.78 PRKAG1 (0.48) F7F10F11
SCHEMBL11025707 0.78 CYP2C19 (0.40) F7F10F11ALDH1A1
SCHEMBL11026361 0.78 F7 (0.32) F7F10F11
SCHEMBL11027119 0.76 MAPT (0.33) ALDH1A1TSHRHPGD
SCHEMBL11025655 0.76 F11 (0.39) F7F10F11
SCHEMBL11029252 0.74 F7 (0.45) F7F10F11
SCHEMBL11029211 0.72 PRKAG1 (0.34) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US claimed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A F7 2297/4885F10 2432/4885F11 2989/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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